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Methyl-2-hydroxy-4-methylvalerat
methyl 2-hydroxy-4-methylvalerate · METHYL-2-HYDROXY-4-METHYLPENTANOATE · Methyl DL-2-Hydroxy-4-Methylvalerate · 4-Methyl-2-hydroxypentanoic acid methyl ester · 2-Hydroxy-4-methylpentanoic acid methyl ester · methyl 2-hydroxy-4-methylvalerate, 10 mM in DMSO · Pentanoic acid, 2-hydroxy-4-methyl-, methyl ester · aromatic,volatile,inhibit,vinegar,methyl 2 hydroxy 4 methylvalerate,microbiota,dominant,methyl 2hydroxy4methylvalerate,Zhenjiang,Inhibitor
Identifikatoren & physikalische Daten
| CAS No. | 40348-72-9 |
|---|---|
| Summenformel | C7H14O3 |
| Durchschnittliche Molmasse | 146,18 g/mol |
| Monoisotopische Masse | 146,09429431 g/mol |
| SMILES | COC(=O)C(O)CC(C)C |
| InChIKey | JOSNYUDSMPILKL-UHFFFAOYSA-N |
| PubChem CID | 62908 |
| ChEBI | CHEBI:169035 |
| EC No. | 254-883-4 |
| DTXSID | DTXSID60865995 |
| Lokaler Name | Methyl-2-hydroxy-4-methylvalerat |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 109 |
| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710] |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.951-0.9571.002±0.06 g/cm3(Predicted) |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | slightly soluble in watersoluble in fat(in ethanol)Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Siedepunkt | 72 °C (10 mm Hg)80-82 °C(Press: 18-20 Torr) |
| Brechungsindex | 1.425-1.435 |
| Physical Description | colourless liquid with sweet, fruity, musty odour |
| FEMA | 3706 | METHYL 2-HYDROXY-4-METHYLPENTANOATE |
| Lagerbedingungen | Refrigerator, under inert atmosphere |
| pKa (Säurekonstante) | 13.07±0.20(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| Geruch | at 100.00 %. sweet fruity musty |
| Geruchsart | fruity |
| JECFA Number | 590 |
| LogP (Verteilungskoeffizient) | 0.69 |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 98.9% (89 of 90) of all reports.Not ClassifiedAggregated GHS information provided per 90 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Pentanoic acid, 2-hydroxy-4-methyl-, methyl esterPentanoic acid, 2-hydroxy-4-methyl-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Not Classified |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Beschreibung
Methyl 2-hydroxy-4-methylpentanoate has a sweet, fruity, musty odor.
Occurrence
Reported found in guanabana